EVODEX Logo

EVODEX.1-P6214

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:1]#[N:2].[O:3]=[C:4]1[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[C:7]([H:15])([H:16])[C:8]([H:17])([H:18])[C:9]1([H:19])[H:20]>>[H][O:3][C:4]1([C:1]#[N:2])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[C:7]([H:15])([H:16])[C:8]([H:17])([H:18])[C:9]1([H:19])[H:20]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E170 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#6:8](=[#8:9])-[#6:10].[#6:1](#[#7:2])-[H]>>[#6:1](#[#7:2])-[#6@:8](-[#6:7])(-[#8:9]-[H])-[#6:10]

EVODEX.1-C8 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-N922 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:3]-[#6:4](=[#8:5])-[#6:6].[H]-[#6:1]#[#7:2]>>[H]-[#8:5]-[#6@:4](-[#6:1]#[#7:2])(-[#6:3])-[#6:6]

EVODEX.1-Em731 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:3]-[#6:4](=[#8:5])-[#6:6].[H]-[#6:1]#[#7:2]>>[H]-[#8:5]-[#6:4](-[#6:1]#[#7:2])(-[#6:3])-[#6:6]

EVODEX.1-Cm42 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-Nm660 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:3]-[#6:4](=[#8:5])-[#6:6].[H]-[#6:1]#[#7:2]>>[H]-[#8:5]-[#6:4](-[#6:1]#[#7:2])(-[#6:3])-[#6:6]

Source Full Reactions

EVODEX.1-R6820

Full Reaction Rendering

[H][C:1]#[N:2].[O:3]=[C:4]1[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[C:7]([H:15])([H:16])[C:8]([H:17])([H:18])[C:9]1([H:19])[H:20]>>[H][O:3][C:4]1([C:1]#[N:2])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[C:7]([H:15])([H:16])[C:8]([H:17])([H:18])[C:9]1([H:19])[H:20]